1-(benzenesulfonyl)-5-chloro-3-[[6-[2-(2,6-dimethoxy-3-pyridinyl)ethyl]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridine;5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine;5-chloro-3-[[6-[2-(2,6-dimethoxy-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;2,6-dimethoxypyridine-3-carbaldehyde;methane

C83H94Cl3N13O11S2 — CID 160858424

About 1-(benzenesulfonyl)-5-chloro-3-[[6-[2-(2,6-dimethoxy-3-pyridinyl)ethyl]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridine;5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine;5-chloro-3-[[6-[2-(2,6-dimethoxy-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;2,6-dimethoxypyridine-3-carbaldehyde;methane

1-(benzenesulfonyl)-5-chloro-3-[[6-[2-(2,6-dimethoxy-3-pyridinyl)ethyl]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridine;5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine;5-chloro-3-[[6-[2-(2,6-dimethoxy-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;2,6-dimethoxypyridine-3-carbaldehyde;methane (PubChem CID 160858424) has the molecular formula C83H94Cl3N13O11S2 and a molecular weight of 1620.24 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-5-chloro-3-[[6-[2-(2,6-dimethoxy-3-pyridinyl)ethyl]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridine;5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine;5-chloro-3-[[6-[2-(2,6-dimethoxy-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;2,6-dimethoxypyridine-3-carbaldehyde;methane.

Molecular Properties

• Compound Name: 1-(benzenesulfonyl)-5-chloro-3-[[6-[2-(2,6-dimethoxy-3-pyridinyl)ethyl]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridine;5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine;5-chloro-3-[[6-[2-(2,6-dimethoxy-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;2,6-dimethoxypyridine-3-carbaldehyde;methane
• PubChem CID: 160858424
• Molecular Formula: C83H94Cl3N13O11S2
• Molecular Weight: 1620.24 g/mol
• Exact Mass: 1617.57
• IUPAC Name: 1-(benzenesulfonyl)-5-chloro-3-[[6-[2-(2,6-dimethoxy-3-pyridinyl)ethyl]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridine;5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine;5-chloro-3-[[6-[2-(2,6-dimethoxy-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;2,6-dimethoxypyridine-3-carbaldehyde;methane
• SMILES: C.C.C.C.C.C.COc1ccc(C=O)c(OC)n1.COc1ccc(CCc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)c(OC)n1.COc1ccc(CCc2ccc(Cc3cn(S(=O)(=O)c4ccccc4)c4ncc(Cl)cc34)cn2)c(OC)n1.Nc1ccc(Cc2cn(S(=O)(=O)c3ccccc3)c3ncc(Cl)cc23)cn1
• InChI: InChI=1S/C28H25ClN4O4S.C22H21ClN4O2.C19H15ClN4O2S.C8H9NO3.6CH4/c1-36-26-13-10-20(28(32-26)37-2)9-12-23-11-8-19(16-30-23)14-21-18-33(27-25(21)15-22(29)17-31-27)38(34,35)24-6-4-3-5-7-24;1-28-20-8-5-15(22(27-20)29-2)4-7-18-6-3-14(11-24-18)9-16-12-25-21-19(16)10-17(23)13-26-21;20-15-9-17-14(8-13-6-7-18(21)22-10-13)12-24(19(17)23-11-15)27(25,26)16-4-2-1-3-5-16;1-11-7-4-3-6(5-10)8(9-7)12-2;;;;;;/h3-8,10-11,13,15-18H,9,12,14H2,1-2H3;3,5-6,8,10-13H,4,7,9H2,1-2H3,(H,25,26);1-7,9-12H,8H2,(H2,21,22);3-5H,1-2H3;6*1H4
• InChIKey: SKEBECJZKXVPGK-UHFFFAOYSA-N
• XLogP: 17.73
• TPSA: 308.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 23
• Rotatable Bonds: 23
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1620.24
LogP ≤ 5	17.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-5-chloro-3-[[6-[2-(2,6-dimethoxy-3-pyridinyl)ethyl]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridine;5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine;5-chloro-3-[[6-[2-(2,6-dimethoxy-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;2,6-dimethoxypyridine-3-carbaldehyde;methane?

The IUPAC name of 1-(benzenesulfonyl)-5-chloro-3-[[6-[2-(2,6-dimethoxy-3-pyridinyl)ethyl]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridine;5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine;5-chloro-3-[[6-[2-(2,6-dimethoxy-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;2,6-dimethoxypyridine-3-carbaldehyde;methane (CID 160858424) is 1-(benzenesulfonyl)-5-chloro-3-[[6-[2-(2,6-dimethoxy-3-pyridinyl)ethyl]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridine;5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine;5-chloro-3-[[6-[2-(2,6-dimethoxy-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;2,6-dimethoxypyridine-3-carbaldehyde;methane.

What is the SMILES notation for 1-(benzenesulfonyl)-5-chloro-3-[[6-[2-(2,6-dimethoxy-3-pyridinyl)ethyl]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridine;5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine;5-chloro-3-[[6-[2-(2,6-dimethoxy-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;2,6-dimethoxypyridine-3-carbaldehyde;methane?

The canonical SMILES for 1-(benzenesulfonyl)-5-chloro-3-[[6-[2-(2,6-dimethoxy-3-pyridinyl)ethyl]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridine;5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine;5-chloro-3-[[6-[2-(2,6-dimethoxy-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;2,6-dimethoxypyridine-3-carbaldehyde;methane is C.C.C.C.C.C.COc1ccc(C=O)c(OC)n1.COc1ccc(CCc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)c(OC)n1.COc1ccc(CCc2ccc(Cc3cn(S(=O)(=O)c4ccccc4)c4ncc(Cl)cc34)cn2)c(OC)n1.Nc1ccc(Cc2cn(S(=O)(=O)c3ccccc3)c3ncc(Cl)cc23)cn1.

What is the InChIKey of 1-(benzenesulfonyl)-5-chloro-3-[[6-[2-(2,6-dimethoxy-3-pyridinyl)ethyl]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridine;5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine;5-chloro-3-[[6-[2-(2,6-dimethoxy-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;2,6-dimethoxypyridine-3-carbaldehyde;methane?

The InChIKey is SKEBECJZKXVPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25ClN4O4S.C22H21ClN4O2.C19H15ClN4O2S.C8H9NO3.6CH4/c1-36-26-13-10-20(28(32-26)37-2)9-12-23-11-8-19(16-30-23)14-21-18-33(27-25(21)15-22(29)17-31-27)38(34,35)24-6-4-3-5-7-24;1-28-20-8-5-15(22(27-20)29-2)4-7-18-6-3-14(11-24-18)9-16-12-25-21-19(16)10-17(23)13-26-21;20-15-9-17-14(8-13-6-7-18(21)22-10-13)12-24(19(17)23-11-15)27(25,26)16-4-2-1-3-5-16;1-11-7-4-3-6(5-10)8(9-7)12-2;;;;;;/h3-8,10-11,13,15-18H,9,12,14H2,1-2H3;3,5-6,8,10-13H,4,7,9H2,1-2H3,(H,25,26);1-7,9-12H,8H2,(H2,21,22);3-5H,1-2H3;6*1H4.

What are the key properties of 1-(benzenesulfonyl)-5-chloro-3-[[6-[2-(2,6-dimethoxy-3-pyridinyl)ethyl]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridine;5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine;5-chloro-3-[[6-[2-(2,6-dimethoxy-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;2,6-dimethoxypyridine-3-carbaldehyde;methane?

1-(benzenesulfonyl)-5-chloro-3-[[6-[2-(2,6-dimethoxy-3-pyridinyl)ethyl]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridine;5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine;5-chloro-3-[[6-[2-(2,6-dimethoxy-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;2,6-dimethoxypyridine-3-carbaldehyde;methane has a molecular weight of 1620.24 g/mol, XLogP of 17.73, 23 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(benzenesulfonyl)-5-chloro-3-[[6-[2-(2,6-dimethoxy-3-pyridinyl)ethyl]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridine;5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine;5-chloro-3-[[6-[2-(2,6-dimethoxy-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;2,6-dimethoxypyridine-3-carbaldehyde;methane is sourced from PubChem (CID 160858424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).